(6S)-6-methyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: (6S)-6-methyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6S)-6-methyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6S)-6-methyl-2-[(1-oxo-3-phenoxypropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6S)-6-methyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6S)-6-methyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C19H21NO4S MolecularWeight: 359.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C19H21NO4S/c1-12-7-8-14-15(11-12)25-18(17(14)19(22)23)20-16(21)9-10-24-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,20,21)(H,22,23)/t12-/m0/s1